[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium

C16H36NO4P2+ — CID 175847272

IUPAC[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium
SMILESCOP(N(C(C)C)C(C)C)C(O[P+](=O)O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35NO4P2/c1-12(2)17(13(3)4)22(20-11)16(14(5,6)7,15(8,9)10)21-23(18)19/h12-13H,1-11H3/p+1
InChIKeyKFTALCUFXDHYTN-UHFFFAOYSA-O
MW368.42 g/mol
LogP5.52
Rot. Bonds7

About [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium

[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 175847272) has the molecular formula C16H36NO4P2+ and a molecular weight of 368.42 g/mol. Its IUPAC name is [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium
PubChem CID175847272
Molecular FormulaC16H36NO4P2+
Molecular Weight368.42 g/mol
Exact Mass368.21
IUPAC Name[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium
SMILESCOP(N(C(C)C)C(C)C)C(O[P+](=O)O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35NO4P2/c1-12(2)17(13(3)4)22(20-11)16(14(5,6)7,15(8,9)10)21-23(18)19/h12-13H,1-11H3/p+1
InChIKeyKFTALCUFXDHYTN-UHFFFAOYSA-O
XLogP5.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium with MolForge

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Related Compounds

[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
CID 88813225
2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
CID 121257772
[di(propan-2-yl)amino]-hydroxy-oxophosphanium
CID 71340640
hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium
CID 175429579
hydroxy-[2-(oxiran-2-yl)propan-2-yloxy]-oxophosphanium
CID 88663341
(3-dimethylsilyloxy-4,4-dimethylpent-1-en-3-yl)oxy-hydroxy-oxophosphanium
CID 173373991
N-methoxy-2-methyl-N-propan-2-ylpropan-2-amine
CID 58320155
3-chloropentan-3-yloxy-hydroxy-oxophosphanium
CID 87677652
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol
CID 175329142
N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155228166
[3-(dimethylamino)-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxypropoxy]-hydroxy-oxophosphanium
CID 88562256

Frequently Asked Questions

What is the IUPAC name of [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium (CID 175847272) is [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium is COP(N(C(C)C)C(C)C)C(O[P+](=O)O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is KFTALCUFXDHYTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H35NO4P2/c1-12(2)17(13(3)4)22(20-11)16(14(5,6)7,15(8,9)10)21-23(18)19/h12-13H,1-11H3/p+1.
What are the key properties of [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium?
[3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 368.42 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[di(propan-2-yl)amino]-methoxyphosphanyl]-2,2,4,4-tetramethylpentan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175847272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).